5-ethoxy-2-[[4-(2-phenylbutanoylamino)benzimidazol-1-yl]methyl]benzoic acid

Systemtic Name: 5-ethoxy-2-[[4-(2-phenylbutanoylamino)benzimidazol-1-yl]methyl]benzoic acid Openeye Name: 5-ethoxy-2-[[4-(2-phenylbutanoylamino)benzimidazol-1-yl]methyl]benzoic acid CAS Name: 5-ethoxy-2-[[4-[(1-oxo-2-phenylbutyl)amino]-1-benzimidazolyl]methyl]benzoic acid IUPAC Name: 5-ethoxy-2-[[4-(2-phenylbutanoylamino)benzimidazol-1-yl]methyl]benzoic acid Traditional Name: 5-ethoxy-2-[[4-(2-phenylbutanoylamino)benzimidazol-1-yl]methyl]benzoic acid Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2=CC=CC3=C2N=CN3CC4=C(C=C(C=C4)OCC)C(=O)O

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NC2=CC=CC3=C2N=CN3CC4=C(C=C(C=C4)OCC)C(=O)O

InChI

InChI=1S/C27H27N3O4/c1-3-21(18-9-6-5-7-10-18)26(31)29-23-11-8-12-24-25(23)28-17-30(24)16-19-13-14-20(34-4-2)15-22(19)27(32)33/h5-15,17,21H,3-4,16H2,1-2H3,(H,29,31)(H,32,33)